2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone

C19H23FN4O — CID 124964415

IUPAC2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCNc1nccnc1C[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1
InChIInChI=1S/C19H23FN4O/c1-21-19-17(22-7-8-23-19)11-15-5-3-9-24(13-15)18(25)12-14-4-2-6-16(20)10-14/h2,4,6-8,10,15H,3,5,9,11-13H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyHXJZBCKCEPUILG-HNNXBMFYSA-N
MW342.42 g/mol
LogP2.68
Rot. Bonds5

About 2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 124964415) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
PubChem CID124964415
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCNc1nccnc1C[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1
InChIInChI=1S/C19H23FN4O/c1-21-19-17(22-7-8-23-19)11-15-5-3-9-24(13-15)18(25)12-14-4-2-6-16(20)10-14/h2,4,6-8,10,15H,3,5,9,11-13H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyHXJZBCKCEPUILG-HNNXBMFYSA-N
XLogP2.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125003518
3-amino-1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 110113301
2-(2-methoxyphenyl)-1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110113252
2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124979428
2-(3-fluorophenyl)-1-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124968195
1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 110119236
2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid
CID 62690576
1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124991653
[4-(methoxymethyl)phenyl]-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124949764
1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 125012361
(4,4-difluorocyclohexyl)-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 110113321
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone (CID 124964415) is 2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone is CNc1nccnc1C[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is HXJZBCKCEPUILG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-21-19-17(22-7-8-23-19)11-15-5-3-9-24(13-15)18(25)12-14-4-2-6-16(20)10-14/h2,4,6-8,10,15H,3,5,9,11-13H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 342.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124964415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).